4-(azepan-1-yl)-N-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-benzyloxyphenyl)methyl]-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-phenylmethoxyphenyl)methyl]-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-benzoxybenzyl)-4-piperidyl]amine Formula: C29H37N5O MolecularWeight: 471.63698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O/c1-2-7-19-34(18-6-1)28-14-17-30-29(32-28)31-26-15-20-33(21-16-26)22-24-10-12-27(13-11-24)35-23-25-8-4-3-5-9-25/h3-5,8-14,17,26H,1-2,6-7,15-16,18-23H2,(H,30,31,32)